3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

C12H12ClNO2S2 — CID 15033465

IUPAC3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCOc1ccc(Cl)cc1)N1CCSC1=S
InChIInChI=1S/C12H12ClNO2S2/c13-9-1-3-10(4-2-9)16-7-5-11(15)14-6-8-18-12(14)17/h1-4H,5-8H2
InChIKeyVNIYUYOHJCQFRE-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one

3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 15033465) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID15033465
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC Name3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
SMILESO=C(CCOc1ccc(Cl)cc1)N1CCSC1=S
InChIInChI=1S/C12H12ClNO2S2/c13-9-1-3-10(4-2-9)16-7-5-11(15)14-6-8-18-12(14)17/h1-4H,5-8H2
InChIKeyVNIYUYOHJCQFRE-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
2-naphthalen-2-yloxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 11012135
2-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 71503409
(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 129382420
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136
(2S)-1-[3-(4-chlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92924493
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547297
2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 94288730
ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
CID 136528260
2-chloroethyl 3-(4-chlorophenoxy)propanoate
CID 86256389
3-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704533
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-phenoxypropan-1-one
CID 110639448

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one (CID 15033465) is 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one is O=C(CCOc1ccc(Cl)cc1)N1CCSC1=S.
What is the InChIKey of 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is VNIYUYOHJCQFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c13-9-1-3-10(4-2-9)16-7-5-11(15)14-6-8-18-12(14)17/h1-4H,5-8H2.
What are the key properties of 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one?
3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 301.82 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 15033465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).